1-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]tetrazol-5-amine
Formula:C13H16N8O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]tetrazol-5-amine |
| MolecularFormula | C13H16N8O2 |
| Smiles | Nc1nnnn1/N=C\c(cc1)cc([N+]([O-])=O)c1N1CCCCC1 |
| InChI | InChI=1S/C13H16N8O2/c14-13-16-17-18-20(13)15-9-10-4-5-11(12(8-10)21(22)23)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H2,14,16,18) |
| InChIK | MBMXWDHGHRXCPM-UHFFFAOYSA-N |
| TotalMolweight | 316.324 |
| Molweight | 316.324 |
| MonoisotopicMass | 316.139622 |
| CLogP | 1.1379 |
| CLogS | -5.239 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 241.05 |
| Relative PSA | 0.41705 |
| PolarSurfaceArea | 131.04 |
| Druglikeness | -3.7216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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